3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine

C21H29NO3 — CID 83974597

IUPAC3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2cc(C)ccc2OC)cc1OCC
InChIInChI=1S/C21H29NO3/c1-5-24-20-10-8-16(13-21(20)25-6-2)12-17(14-22)18-11-15(3)7-9-19(18)23-4/h7-11,13,17H,5-6,12,14,22H2,1-4H3
InChIKeyPTMNMHHLPMPREF-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.09
Rot. Bonds9

About 3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine

3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine (PubChem CID 83974597) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
PubChem CID83974597
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2cc(C)ccc2OC)cc1OCC
InChIInChI=1S/C21H29NO3/c1-5-24-20-10-8-16(13-21(20)25-6-2)12-17(14-22)18-11-15(3)7-9-19(18)23-4/h7-11,13,17H,5-6,12,14,22H2,1-4H3
InChIKeyPTMNMHHLPMPREF-UHFFFAOYSA-N
XLogP4.09
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethoxy-3-methoxyphenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974529
2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83974613
2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
CID 83972845
3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 83972849
3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 82139605
3-(3-chlorophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974508
3-(3-bromophenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 112538959
3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
CID 83973107
2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine
CID 82139339
2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine
CID 82141454
3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
CID 83973025
2-(2-ethoxy-4,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 83974956

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine?
The IUPAC name of 3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine (CID 83974597) is 3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine is CCOc1ccc(CC(CN)c2cc(C)ccc2OC)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine?
The InChIKey is PTMNMHHLPMPREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-5-24-20-10-8-16(13-21(20)25-6-2)12-17(14-22)18-11-15(3)7-9-19(18)23-4/h7-11,13,17H,5-6,12,14,22H2,1-4H3.
What are the key properties of 3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine?
3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine has a molecular weight of 343.47 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine is sourced from PubChem (CID 83974597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).